SCHEMBL11078121

SCHEMBL11078121

CCC(CC/C=C/C#N)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CCR5 P51681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MIF P14174 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
CYP2D6 P10635 1/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.32
SIGMAR1 Q99720 1/20 0.30
HTR2A P28223 2/20 0.30
HRH1 P35367 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11078122 1.00 LMNA (0.35) LMNACCR5SMN1; SMN2MIFTAAR1
SCHEMBL11301651 0.86 CYP1A2 (0.36) LMNASMN1; SMN2CYP2D6TSHRSIGMAR1
SCHEMBL11301653 0.86 CYP1A2 (0.36) LMNASMN1; SMN2CYP2D6TSHRSIGMAR1
SCHEMBL6987943 0.83 LMNA (0.37) LMNACCR5SMN1; SMN2MIFTAAR1
SCHEMBL6987947 0.83 LMNA (0.37) LMNACCR5SMN1; SMN2MIFTAAR1
SCHEMBL5852964 0.80 LMNA (0.39) LMNACCR5MIFTAAR1CYP2D6
SCHEMBL5852961 0.80 LMNA (0.39) LMNACCR5MIFTAAR1CYP2D6
SCHEMBL7384257 0.78 LMNA (0.41) LMNACCR5MIFTAAR1CYP2D6
SCHEMBL7058065 0.77 RIPK1 (0.43) LMNACYP2D6TSHR
SCHEMBL4908362 0.74 LMNA (0.41) LMNACCR5SMN1; SMN2MIFTAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472319-A Preparation of unsaturated nitriles using a surfactant PHILLIPS PETROLEUM COMPANY (US) 1984-09-18 US disclosed